(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide

C25H23N3O4 — CID 97263101

IUPAC(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C25H23N3O4/c1-16(29)26-19-12-13-22(32-2)21(14-19)27-24(30)23(17-8-4-3-5-9-17)28-15-18-10-6-7-11-20(18)25(28)31/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,30)/t23-/m1/s1
InChIKeyCRWQYMRQRZVRIK-HSZRJFAPSA-N
MW429.48 g/mol
LogP3.99
Rot. Bonds6

About (2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide

(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide (PubChem CID 97263101) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is (2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
PubChem CID97263101
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C25H23N3O4/c1-16(29)26-19-12-13-22(32-2)21(14-19)27-24(30)23(17-8-4-3-5-9-17)28-15-18-10-6-7-11-20(18)25(28)31/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,30)/t23-/m1/s1
InChIKeyCRWQYMRQRZVRIK-HSZRJFAPSA-N
XLogP3.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,3-dimethoxy-4-pyridinyl)amino]-3-fluorophenyl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 153351987
(2R)-N-(2,5-dichlorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 92688450
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 96565097
diethyl 5-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]benzene-1,3-dicarboxylate
CID 20862751
(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92741995
methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate
CID 161202330
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-phenylethyl]-3H-isoindol-1-one
CID 155486491
2-(5-acetamido-2-methoxyanilino)-N-cyclopropyl-2-phenylacetamide
CID 17428047
(3S)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92690856
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(2-phenylethyl)acetamide
CID 6622459
N-[4-methoxy-3-[(2-methyl-1-phenylpropyl)carbamoylamino]phenyl]acetamide
CID 47033000

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide (CID 97263101) is (2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide is COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The InChIKey is CRWQYMRQRZVRIK-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-16(29)26-19-12-13-22(32-2)21(14-19)27-24(30)23(17-8-4-3-5-9-17)28-15-18-10-6-7-11-20(18)25(28)31/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,30)/t23-/m1/s1.
What are the key properties of (2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide has a molecular weight of 429.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 97263101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).